Molecule ID: mol24653

SMILES: CCOC(=O)c1cc(C2=CC3CCC2N3)on1

InChI: InChI=1S/C12H14N2O3/c1-2-16-12(15)10-6-11(17-14-10)8-5-7-3-4-9(8)13-7/h5-7,9,13H,2-4H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.47 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization